2-(iodomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide

C8H10I2N2 — CID 139030576

IUPAC2-(iodomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide
SMILESIC=C1CN2CC=CC=C2[NH2+]1.[I-]
InChIInChI=1S/C8H9IN2.HI/c9-5-7-6-11-4-2-1-3-8(11)10-7;/h1-3,5,10H,4,6H2;1H
InChIKeyKSVJMFVYZCIZHY-UHFFFAOYSA-N
MW387.99 g/mol
LogP-2.44
Rot. Bonds

About 2-(iodomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide

2-(iodomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide (PubChem CID 139030576) has the molecular formula C8H10I2N2 and a molecular weight of 387.99 g/mol. Its IUPAC name is 2-(iodomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide.

Molecular Properties

Compound Name2-(iodomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide
PubChem CID139030576
Molecular FormulaC8H10I2N2
Molecular Weight387.99 g/mol
Exact Mass387.89
IUPAC Name2-(iodomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide
SMILESIC=C1CN2CC=CC=C2[NH2+]1.[I-]
InChIInChI=1S/C8H9IN2.HI/c9-5-7-6-11-4-2-1-3-8(11)10-7;/h1-3,5,10H,4,6H2;1H
InChIKeyKSVJMFVYZCIZHY-UHFFFAOYSA-N
XLogP-2.44
TPSA19.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.99
LogP ≤ 5-2.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,3-Dihydro-1h-imidazo[1,2-a]pyridinium iodide
CID 139030563
2-Iodomethyl-2,3-dihydro-1h-imidazo[1,2-a]pyridinium iodide
CID 139030578
2-Methyl2-iodomethyl-2,3-dihydro-1h-imidazo[1,2-a]pyridinium iodide
CID 139030586
1,2,3,5-Tetrahydroimidazo[1,5-a]pyridine
CID 68440928
1,2,3,5-Tetrahydroimidazo[1,5-a]pyridine;hydrochloride
CID 139606758
1-Ethyl-2,3,3a,4-tetrahydroimidazo[4,5-b]pyridine
CID 152445855
1,4,7-Triazatricyclo[6.3.1.04,12]dodeca-8(12),9-diene
CID 153325996
1,8a-Dihydroimidazo[1,2-a]pyridin-3-ylmethanamine
CID 164150511
8-Iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine
CID 167216754
2-(bromomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridine
CID 139030571
(2E)-2-(bromomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridine
CID 139030573
2-(iodomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridine
CID 139030577

Frequently Asked Questions

What is the IUPAC name of 2-(iodomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide?
The IUPAC name of 2-(iodomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide (CID 139030576) is 2-(iodomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide.
What is the SMILES notation for 2-(iodomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide?
The canonical SMILES for 2-(iodomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide is IC=C1CN2CC=CC=C2[NH2+]1.[I-].
What is the InChIKey of 2-(iodomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide?
The InChIKey is KSVJMFVYZCIZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN2.HI/c9-5-7-6-11-4-2-1-3-8(11)10-7;/h1-3,5,10H,4,6H2;1H.
What are the key properties of 2-(iodomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide?
2-(iodomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide has a molecular weight of 387.99 g/mol, XLogP of -2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide is sourced from PubChem (CID 139030576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).